N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-iodanyl-benzamide

Systemtic Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-iodanyl-benzamide Openeye Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-iodo-benzamide CAS Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-2-iodobenzamide IUPAC Name: N-(4-cyano-3-ethylsulfanyl-1H-pyrazol-5-yl)-2-iodobenzamide Traditional Name: N-[4-cyano-3-(ethylthio)-1H-pyrazol-5-yl]-2-iodo-benzamide Formula: C13H11IN4OS MolecularWeight: 398.22211

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCSC1=NNC(=C1C#N)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H11IN4OS/c1-2-20-13-9(7-15)11(17-18-13)16-12(19)8-5-3-4-6-10(8)14/h3-6H,2H2,1H3,(H2,16,17,18,19)